SCHEMBL7013756

SCHEMBL7013756

O=C(NCC1=COc2ccc(OS(=O)(=O)C(F)(F)F)cc2O1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 9/20 0.39
ENPP1 P22413 8/20 0.39
ENPP2 Q13822 7/20 0.39
HPGD P15428 2/20 0.37
NPC1 O15118 1/20 0.36
PKM P14618 1/20 0.36
EPHX2 P34913 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
STS P08842 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7021424 0.84 MTNR1A (0.48) EPHX2SMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL7018275 0.79 ERCC1 (0.45) HPGDNPC1RAB9AALDH1A1USP2
SCHEMBL7198759 0.78 MTNR1A (0.52) EPHX2SMN1; SMN2MTNR1AMTNR1BALDH1A1
SCHEMBL7017975 0.75 MTNR1A (0.57) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL6075864 0.73 SPR (0.41) HPGDNPC1PKMRAB9AMTNR1A
SCHEMBL7015840 0.67 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL7017973 0.65 CXCR2 (0.39)
SCHEMBL6076107 0.65 KMT2A (0.32) HPGDPKMALDH1A1USP2ERCC1
SCHEMBL7201899 0.65 MTNR1A (0.56) SMN1; SMN2MTNR1AMTNR1B
SCHEMBL5520753 0.64 HTR2C (0.70) HPGDEPHX2SMN1; SMN2ALDH1A1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed